UCSF
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Analogs

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Popular Name: 5-[2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl]-N-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 5-[2-(dimethylamino)-5,6-dimethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 7.11 -31.47 3 8 1 91 330.416 3 ↓
Hi High (pH 8-9.5) 1.43 6.71 -14.26 2 8 0 90 329.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-methyl-6-(2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyrimidin-4-yl]methanamine [2-methyl-6-(2,4,6,7-tetrahydrop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 2.63 -52.87 4 6 1 85 245.31 2 ↓
Hi High (pH 8-9.5) -0.04 2.23 -11.42 3 6 0 84 244.302 2 ↓
Lo Low (pH 4.5-6) -0.04 2.61 -30.59 4 6 1 85 245.31 2 ↓

Parameters Provided:

ring.id = 584156
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 584156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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